Compound Detail
CHEMBL403296
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Basic Information
| ChEMBL ID | CHEMBL403296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTHUKURTASAUTM-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
5.18
ALogP
2
HBA
3
HBD
73.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 29000.0 | nM | 4.54 | Inhibition of Wnt/beta-catenin (unknown origin) | 26182238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19252499 | 10.1038/nchembio.152 | ADMET | 2 |
| 18180157 | 10.1016/j.bmcl.2007.12.038 | Beta-2 adrenergic receptor | 1 |
| 18180157 | 10.1016/j.bmcl.2007.12.038 | Cystic fibrosis transmembrane conductance regulator | 1 |
| 18075579 | 10.1038/nature06526 | Unchecked | 1 |
| 19252499 | 10.1038/nchembio.152 | Unchecked | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 26182238 | 10.1021/acs.jmedchem.5b00460 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine